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Entry Data

Table mix-ins: ['Structure'] Extra columns: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-96941
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 24
  • Number of elements: 4
  • Element list: ['Ca', 'Al', 'B', 'O']
  • Chemical System: Al-B-Ca-O
  • Density: 3.3900273575309288
  • Atomic Density: 0.11583743332327923
  • Unit Cell Volume: 207.18691109997903
  • Molar Volume: 5.198786426140335
  • Full Formula: Ca2 Al2 B6 O14
  • Reduced Formula: CaAlB3O7
  • Formula Anonymous: ABC3D7
  • Spacegroup Number: 67
  • Spacegroup Symbol: Cmme
  • Crystal System: orthorhombic
  • Pointgroup: mmm